SCHEMBL2960243

SCHEMBL2960243

COc1ccc([S+](c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.O=S(=O)([O-])c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.48
ALDH1A1 P00352 1/20 0.48
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
STAT3 P40763 1/20 0.45
NFE2L2 Q16236 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
SOS1 Q07889 1/20 0.42
GAA P10253 1/20 0.42
PTGS2 P35354 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
NPC1 O15118 1/20 0.41
PKLR P30613 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2958286 0.94 STAT3 (0.47) PKMALDH1A1EGFRERBB2STAT3
Trifluoromethanesulfonic Acid SCHEMBL4848803 0.87 KCNH2 (0.43) PKMALDH1A1EGFRERBB2STAT3
SCHEMBL13401278 0.86 NFE2L2 (0.57) NFE2L2CA1CA2NPC1RAB9A
SCHEMBL450797 0.85 ACHE (0.52) PKMALDH1A1EGFRFFAR4GAA
SCHEMBL2901788 0.85 ACHE (0.52) PKMALDH1A1EGFRFFAR4GAA
SCHEMBL450430 0.85 PKM (0.50) PKMALDH1A1NFE2L2CA1CA2
SCHEMBL2964758 0.83 PKM (0.48) PKMALDH1A1NFE2L2CA1CA2
SCHEMBL1089895 0.83 PKM (0.52) PKMALDH1A1NFE2L2CA1CA2
SCHEMBL2898276 0.83 HSD11B1 (0.48) PKMALDH1A1CA1CA2GAA
SCHEMBL8646179 0.83 MMP1 (0.40) ALDH1A1FFAR4CA1CA2MMP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759045-B2 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-20 US disclosed
US-20090004601-A1 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-01 US disclosed
US-6893794-B2 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed
US-20040018445-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-01-29 US disclosed
US-20030068573-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-10 US disclosed